============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 12 rings ring int. center anis. iso. PHE 7 1.000 23.518 29.217 17.928 -99.200 -91.000 PHE 12 1.000 18.526 24.369 20.174 -99.200 -91.000 TYR 39 0.840 31.845 27.540 19.079 -99.200 -91.000 TYR 52 0.840 27.828 27.638 30.704 -99.200 -91.000 PHE 61 1.000 28.956 25.759 9.086 -99.200 -91.000 TRP 67 1.040 24.265 18.471 9.453 -99.200 -91.000 TRP6 67 1.020 24.676 17.205 11.396 -99.200 -91.000 PHE 83 1.000 24.691 26.834 28.316 -99.200 -91.000 HIS 84 0.900 21.315 33.729 27.316 -99.200 -91.000 PHE 92 1.000 37.630 32.095 5.474 -99.200 -91.000 HIS 95 0.900 26.326 37.171 3.729 -99.200 -91.000 HIS 100 0.900 22.011 37.309 15.756 -99.200 -91.000